5-[(4-methoxyphenyl)carbonylamino]-3,3-dimethyl-6-nitro-2-oxidanylidene-indole-1-carboxylic acid

Systemtic Name: 5-[(4-methoxyphenyl)carbonylamino]-3,3-dimethyl-6-nitro-2-oxidanylidene-indole-1-carboxylic acid Openeye Name: 5-[(4-methoxybenzoyl)amino]-3,3-dimethyl-6-nitro-2-oxo-indoline-1-carboxylic acid CAS Name: 5-[[(4-methoxyphenyl)-oxomethyl]amino]-3,3-dimethyl-6-nitro-2-oxo-1-indolecarboxylic acid IUPAC Name: 5-[(4-methoxybenzoyl)amino]-3,3-dimethyl-6-nitro-2-oxoindole-1-carboxylic acid Traditional Name: 2-keto-3,3-dimethyl-6-nitro-5-(p-anisoylamino)indoline-1-carboxylic acid Formula: C19H17N3O7 MolecularWeight: 399.35418

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC(=C(C=C2N(C1=O)C(=O)O)[N+](=O)[O-])NC(=O)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1(C2=CC(=C(C=C2N(C1=O)C(=O)O)[N+](=O)[O-])NC(=O)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C19H17N3O7/c1-19(2)12-8-13(20-16(23)10-4-6-11(29-3)7-5-10)15(22(27)28)9-14(12)21(17(19)24)18(25)26/h4-9H,1-3H3,(H,20,23)(H,25,26)