3-nitro-4-[(3-oxidanyl-3-oxidanylidene-propanoyl)amino]benzoic acid; 1-phenylpropylbenzene

Systemtic Name: 3-nitro-4-[(3-oxidanyl-3-oxidanylidene-propanoyl)amino]benzoic acid; 1-phenylpropylbenzene Openeye Name: 4-[(3-hydroxy-3-oxo-propanoyl)amino]-3-nitro-benzoic acid; 1-phenylpropylbenzene CAS Name: 4-[(3-hydroxy-1,3-dioxopropyl)amino]-3-nitrobenzoic acid; 1-phenylpropylbenzene IUPAC Name: 4-[(3-hydroxy-3-oxopropanoyl)amino]-3-nitrobenzoic acid; 1-phenylpropylbenzene Traditional Name: 4-[(3-hydroxy-3-keto-propanoyl)amino]-3-nitro-benzoic acid; 1-phenylpropylbenzene Formula: C25H24N2O7 MolecularWeight: 464.46726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C2=CC=CC=C2.C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])NC(=O)CC(=O)O

Isomeric SMILES

CCC(C1=CC=CC=C1)C2=CC=CC=C2.C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])NC(=O)CC(=O)O

InChI

InChI=1S/C15H16.C10H8N2O7/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;13-8(4-9(14)15)11-6-2-1-5(10(16)17)3-7(6)12(18)19/h3-12,15H,2H2,1H3;1-3H,4H2,(H,11,13)(H,14,15)(H,16,17)