(E)-4-azanyl-4-oxidanylidene-but-2-enoic acid; (phenylmethyl)benzene

Systemtic Name: (E)-4-azanyl-4-oxidanylidene-but-2-enoic acid; (phenylmethyl)benzene Openeye Name: (E)-4-amino-4-oxo-but-2-enoic acid; benzylbenzene CAS Name: (E)-4-amino-4-oxo-2-butenoic acid; (phenylmethyl)benzene IUPAC Name: (E)-4-amino-4-oxobut-2-enoic acid; benzylbenzene Traditional Name: (E)-4-amino-4-keto-but-2-enoic acid; benzylbenzene Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC=C2.C(=CC(=O)O)C(=O)N.C(=CC(=O)O)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2.C(=C/C(=O)O)\C(=O)N.C(=C/C(=O)O)\C(=O)N

InChI

InChI=1S/C13H12.2C4H5NO3/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*5-3(6)1-2-4(7)8/h1-10H,11H2;2*1-2H,(H2,5,6)(H,7,8)/b;2*2-1+