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

Systemtic Name: methyl 2-(2-methoxy-5-nitro-phenyl)sulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate Openeye Name: methyl 2-(2-methoxy-5-nitro-phenyl)sulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate CAS Name: 2-(2-methoxy-5-nitrophenyl)sulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-methoxy-5-nitrophenyl)sulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate Traditional Name: 2-(2-methoxy-5-nitro-phenyl)sulfonyl-1,3,4,5-tetrahydropyrid[4,3-b]indole-8-carboxylic acid methyl ester Formula: C20H19N3O7S MolecularWeight: 445.44576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC3=C(C2)C4=C(N3)C=CC(=C4)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC3=C(C2)C4=C(N3)C=CC(=C4)C(=O)OC

InChI

InChI=1S/C20H19N3O7S/c1-29-18-6-4-13(23(25)26)10-19(18)31(27,28)22-8-7-17-15(11-22)14-9-12(20(24)30-2)3-5-16(14)21-17/h3-6,9-10,21H,7-8,11H2,1-2H3