ethyl 5-[2-[bis(azanyl)methylidene]hydrazinyl]-8-bromanyl-2-methyl-4-oxidanylidene-3-(phenylmethyl)benzo[e]indol-3-ium-1-carboxylate

Systemtic Name: ethyl 5-[2-[bis(azanyl)methylidene]hydrazinyl]-8-bromanyl-2-methyl-4-oxidanylidene-3-(phenylmethyl)benzo[e]indol-3-ium-1-carboxylate Openeye Name: ethyl 3-benzyl-8-bromo-5-[2-(diaminomethylene)hydrazino]-2-methyl-4-oxo-benzo[e]indol-3-ium-1-carboxylate CAS Name: 8-bromo-5-[2-(diaminomethylidene)hydrazinyl]-2-methyl-4-oxo-3-(phenylmethyl)-1-benzo[e]indol-3-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-8-bromo-5-[2-(diaminomethylidene)hydrazinyl]-2-methyl-4-oxobenzo[e]indol-3-ium-1-carboxylate Traditional Name: 3-benzyl-8-bromo-5-[N'-(diaminomethylene)hydrazino]-4-keto-2-methyl-benz[e]indol-3-ium-1-carboxylic acid ethyl ester Formula: C24H23BrN5O3+ MolecularWeight: 509.37512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([N+](=C2C1=C3C=C(C=CC3=C(C2=O)NN=C(N)N)Br)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C([N+](=C2C1=C3C=C(C=CC3=C(C2=O)NN=C(N)N)Br)CC4=CC=CC=C4)C

InChI

InChI=1S/C24H22BrN5O3/c1-3-33-23(32)18-13(2)30(12-14-7-5-4-6-8-14)21-19(18)17-11-15(25)9-10-16(17)20(22(21)31)28-29-24(26)27/h4-11H,3,12H2,1-2H3,(H4,26,27,29,31)/p+1