methylbenzene; 3-nitro-4-[(3-oxidanyl-3-oxidanylidene-propanoyl)amino]benzoic acid

Systemtic Name: methylbenzene; 3-nitro-4-[(3-oxidanyl-3-oxidanylidene-propanoyl)amino]benzoic acid Openeye Name: 4-[(3-hydroxy-3-oxo-propanoyl)amino]-3-nitro-benzoic acid; toluene CAS Name: 4-[(3-hydroxy-1,3-dioxopropyl)amino]-3-nitrobenzoic acid; toluene IUPAC Name: 4-[(3-hydroxy-3-oxopropanoyl)amino]-3-nitrobenzoic acid; toluene Traditional Name: 4-[(3-hydroxy-3-keto-propanoyl)amino]-3-nitro-benzoic acid; toluene Formula: C17H16N2O7 MolecularWeight: 360.31814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])NC(=O)CC(=O)O

Isomeric SMILES

CC1=CC=CC=C1.C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])NC(=O)CC(=O)O

InChI

InChI=1S/C10H8N2O7.C7H8/c13-8(4-9(14)15)11-6-2-1-5(10(16)17)3-7(6)12(18)19;1-7-5-3-2-4-6-7/h1-3H,4H2,(H,11,13)(H,14,15)(H,16,17);2-6H,1H3