sodium 4-[[(Z)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]butanoate

Systemtic Name: sodium 4-[[(Z)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]butanoate Openeye Name: sodium 4-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]butanoate CAS Name: sodium 4-[[(Z)-(6-oxo-1-cyclohexa-2,4-dienylidene)-phenylmethyl]amino]butanoate IUPAC Name: sodium 4-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)-phenylmethyl]amino]butanoate Traditional Name: sodium 4-[[(Z)-(6-ketocyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]butyrate Formula: C17H16NNaO3 MolecularWeight: 305.30361

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C2C=CC=CC2=O)NCCCC(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)/C(=C/2\C=CC=CC2=O)/NCCCC(=O)[O-].[Na+]

InChI

InChI=1S/C17H17NO3.Na/c19-15-10-5-4-9-14(15)17(13-7-2-1-3-8-13)18-12-6-11-16(20)21;/h1-5,7-10,18H,6,11-12H2,(H,20,21);/q;+1/p-1/b17-14-;