1-[3-[4-(1-methyl-6-nitro-indol-3-yl)-2,5-bis(oxidanylidene)pyrrol-3-yl]indol-1-yl]ethyl 3-(diethylaminomethyl)benzoate hydrochloride

Systemtic Name: 1-[3-[4-(1-methyl-6-nitro-indol-3-yl)-2,5-bis(oxidanylidene)pyrrol-3-yl]indol-1-yl]ethyl 3-(diethylaminomethyl)benzoate hydrochloride Openeye Name: 1-[3-[4-(1-methyl-6-nitro-indol-3-yl)-2,5-dioxo-pyrrol-3-yl]indol-1-yl]ethyl 3-(diethylaminomethyl)benzoate hydrochloride CAS Name: 3-(diethylaminomethyl)benzoic acid 1-[3-[4-(1-methyl-6-nitro-3-indolyl)-2,5-dioxo-3-pyrrolyl]-1-indolyl]ethyl ester hydrochloride IUPAC Name: 1-[3-[4-(1-methyl-6-nitroindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]ethyl 3-(diethylaminomethyl)benzoate hydrochloride Traditional Name: 3-(diethylaminomethyl)benzoic acid 1-[3-[2,5-diketo-4-(1-methyl-6-nitro-indol-3-yl)-3-pyrrolin-3-yl]indol-1-yl]ethyl ester hydrochloride Formula: C35H34ClN5O6 MolecularWeight: 656.12736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=CC(=C1)C(=O)OC(C)N2C=C(C3=CC=CC=C32)C4=C(C(=O)NC4=O)C5=CN(C6=C5C=CC(=C6)[N+](=O)[O-])C.Cl

Isomeric SMILES

CCN(CC)CC1=CC=CC(=C1)C(=O)OC(C)N2C=C(C3=CC=CC=C32)C4=C(C(=O)NC4=O)C5=CN(C6=C5C=CC(=C6)[N+](=O)[O-])C.Cl

InChI

InChI=1S/C35H33N5O6.ClH/c1-5-38(6-2)18-22-10-9-11-23(16-22)35(43)46-21(3)39-20-28(25-12-7-8-13-29(25)39)32-31(33(41)36-34(32)42)27-19-37(4)30-17-24(40(44)45)14-15-26(27)30;/h7-17,19-21H,5-6,18H2,1-4H3,(H,36,41,42);1H