4-[[1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]amino]-3,5-dinitro-benzoic acid

Systemtic Name: 4-[[1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]amino]-3,5-dinitro-benzoic acid Openeye Name: 4-[[2-(4-methoxyanilino)-1-methyl-2-oxo-ethyl]amino]-3,5-dinitro-benzoic acid CAS Name: 4-[[1-(4-methoxyanilino)-1-oxopropan-2-yl]amino]-3,5-dinitrobenzoic acid IUPAC Name: 4-[[1-(4-methoxyanilino)-1-oxopropan-2-yl]amino]-3,5-dinitrobenzoic acid Traditional Name: 4-[[2-keto-1-methyl-2-(p-anisidino)ethyl]amino]-3,5-dinitro-benzoic acid Formula: C17H16N4O8 MolecularWeight: 404.33094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OC)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O8/c1-9(16(22)19-11-3-5-12(29-2)6-4-11)18-15-13(20(25)26)7-10(17(23)24)8-14(15)21(27)28/h3-9,18H,1-2H3,(H,19,22)(H,23,24)