(E)-4-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[(3-amino-3-oxo-propyl)-benzyl-amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[(3-amino-3-oxopropyl)-(phenylmethyl)amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(3-amino-3-oxopropyl)-benzylamino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[(3-amino-3-keto-propyl)-benzyl-amino]-4-keto-but-2-enoic acid Formula: C14H16N2O4 MolecularWeight: 276.28784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC(=O)N)C(=O)C=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC(=O)N)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C14H16N2O4/c15-12(17)8-9-16(13(18)6-7-14(19)20)10-11-4-2-1-3-5-11/h1-7H,8-10H2,(H2,15,17)(H,19,20)/b7-6+