3-[1-(3-azanylpropyl)-7-ethyl-indol-3-yl]-7-nitro-1H-quinoxalin-2-one; ethanoic acid

Systemtic Name: 3-[1-(3-azanylpropyl)-7-ethyl-indol-3-yl]-7-nitro-1H-quinoxalin-2-one; ethanoic acid Openeye Name: acetic acid; 3-[1-(3-aminopropyl)-7-ethyl-indol-3-yl]-7-nitro-1H-quinoxalin-2-one CAS Name: acetic acid; 3-[1-(3-aminopropyl)-7-ethyl-3-indolyl]-7-nitro-1H-quinoxalin-2-one IUPAC Name: acetic acid; 3-[1-(3-aminopropyl)-7-ethylindol-3-yl]-7-nitro-1H-quinoxalin-2-one Traditional Name: acetic acid; 3-[1-(3-aminopropyl)-7-ethyl-indol-3-yl]-7-nitro-1H-quinoxalin-2-one Formula: C23H25N5O5 MolecularWeight: 451.4751

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1N(C=C2C3=NC4=C(C=C(C=C4)[N+](=O)[O-])NC3=O)CCCN.CC(=O)O

Isomeric SMILES

CCC1=CC=CC2=C1N(C=C2C3=NC4=C(C=C(C=C4)[N+](=O)[O-])NC3=O)CCCN.CC(=O)O

InChI

InChI=1S/C21H21N5O3.C2H4O2/c1-2-13-5-3-6-15-16(12-25(20(13)15)10-4-9-22)19-21(27)24-18-11-14(26(28)29)7-8-17(18)23-19;1-2(3)4/h3,5-8,11-12H,2,4,9-10,22H2,1H3,(H,24,27);1H3,(H,3,4)