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

Systemtic Name: methyl 2-(4-methyl-3-nitro-phenyl)carbonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate Openeye Name: methyl 2-(4-methyl-3-nitro-benzoyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate CAS Name: 2-[(4-methyl-3-nitrophenyl)-oxomethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-methyl-3-nitrobenzoyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate Traditional Name: 2-(4-methyl-3-nitro-benzoyl)-1,3,4,5-tetrahydropyrid[4,3-b]indole-8-carboxylic acid methyl ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCC3=C(C2)C4=C(N3)C=CC(=C4)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCC3=C(C2)C4=C(N3)C=CC(=C4)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O5/c1-12-3-4-13(10-19(12)24(27)28)20(25)23-8-7-18-16(11-23)15-9-14(21(26)29-2)5-6-17(15)22-18/h3-6,9-10,22H,7-8,11H2,1-2H3