ethyl 3-(2-methoxyethanoylamino)-2-(3-methylphenyl)carbonyl-5-nitro-indole-1-carboxylate

Systemtic Name: ethyl 3-(2-methoxyethanoylamino)-2-(3-methylphenyl)carbonyl-5-nitro-indole-1-carboxylate Openeye Name: ethyl 3-[(2-methoxyacetyl)amino]-2-(3-methylbenzoyl)-5-nitro-indole-1-carboxylate CAS Name: 3-[(2-methoxy-1-oxoethyl)amino]-2-[(3-methylphenyl)-oxomethyl]-5-nitro-1-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-methoxyacetyl)amino]-2-(3-methylbenzoyl)-5-nitroindole-1-carboxylate Traditional Name: 3-[(2-methoxyacetyl)amino]-2-m-toluoyl-5-nitro-indole-1-carboxylic acid ethyl ester Formula: C22H21N3O7 MolecularWeight: 439.41804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2=C(C=C(C=C2)[N+](=O)[O-])C(=C1C(=O)C3=CC(=CC=C3)C)NC(=O)COC

Isomeric SMILES

CCOC(=O)N1C2=C(C=C(C=C2)[N+](=O)[O-])C(=C1C(=O)C3=CC(=CC=C3)C)NC(=O)COC

InChI

InChI=1S/C22H21N3O7/c1-4-32-22(28)24-17-9-8-15(25(29)30)11-16(17)19(23-18(26)12-31-3)20(24)21(27)14-7-5-6-13(2)10-14/h5-11H,4,12H2,1-3H3,(H,23,26)