methyl 2-(4-azanyl-3-nitro-phenyl)carbonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate

Systemtic Name: methyl 2-(4-azanyl-3-nitro-phenyl)carbonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate Openeye Name: methyl 2-(4-amino-3-nitro-benzoyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate CAS Name: 2-[(4-amino-3-nitrophenyl)-oxomethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-amino-3-nitrobenzoyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate Traditional Name: 2-(4-amino-3-nitro-benzoyl)-1,3,4,5-tetrahydropyrid[4,3-b]indole-8-carboxylic acid methyl ester Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)C4=CC(=C(C=C4)N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)C4=CC(=C(C=C4)N)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O5/c1-29-20(26)12-3-5-16-13(8-12)14-10-23(7-6-17(14)22-16)19(25)11-2-4-15(21)18(9-11)24(27)28/h2-5,8-9,22H,6-7,10,21H2,1H3