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

Systemtic Name: methyl 2-(3-ethoxycarbonyl-5-nitro-phenyl)carbonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate Openeye Name: methyl 2-(3-ethoxycarbonyl-5-nitro-benzoyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate CAS Name: 2-[(3-ethoxycarbonyl-5-nitrophenyl)-oxomethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-ethoxycarbonyl-5-nitrobenzoyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate Traditional Name: 2-(3-carbethoxy-5-nitro-benzoyl)-1,3,4,5-tetrahydropyrid[4,3-b]indole-8-carboxylic acid methyl ester Formula: C23H21N3O7 MolecularWeight: 451.42874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCC3=C(C2)C4=C(N3)C=CC(=C4)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCC3=C(C2)C4=C(N3)C=CC(=C4)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O7/c1-3-33-23(29)15-8-14(9-16(10-15)26(30)31)21(27)25-7-6-20-18(12-25)17-11-13(22(28)32-2)4-5-19(17)24-20/h4-5,8-11,24H,3,6-7,12H2,1-2H3