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

Systemtic Name: 4-[(3-methoxy-3-oxidanylidene-propanoyl)amino]-3-nitro-benzoic acid; 1-phenylpropylbenzene Openeye Name: 4-[(3-methoxy-3-oxo-propanoyl)amino]-3-nitro-benzoic acid; 1-phenylpropylbenzene CAS Name: 4-[(3-methoxy-1,3-dioxopropyl)amino]-3-nitrobenzoic acid; 1-phenylpropylbenzene IUPAC Name: 4-[(3-methoxy-3-oxopropanoyl)amino]-3-nitrobenzoic acid; 1-phenylpropylbenzene Traditional Name: 4-[(3-keto-3-methoxy-propanoyl)amino]-3-nitro-benzoic acid; 1-phenylpropylbenzene Formula: C26H26N2O7 MolecularWeight: 478.49384

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C2=CC=CC=C2.COC(=O)CC(=O)NC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCC(C1=CC=CC=C1)C2=CC=CC=C2.COC(=O)CC(=O)NC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H16.C11H10N2O7/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-20-10(15)5-9(14)12-7-3-2-6(11(16)17)4-8(7)13(18)19/h3-12,15H,2H2,1H3;2-4H,5H2,1H3,(H,12,14)(H,16,17)