sodium 4-[[(Z)-(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]butanoate

Systemtic Name: sodium 4-[[(Z)-(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]butanoate Openeye Name: sodium 4-[[(Z)-(3-chloro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]butanoate CAS Name: sodium 4-[[(Z)-(3-chloro-6-oxo-1-cyclohexa-2,4-dienylidene)-phenylmethyl]amino]butanoate IUPAC Name: sodium 4-[[(Z)-(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)-phenylmethyl]amino]butanoate Traditional Name: sodium 4-[[(Z)-(3-chloro-6-keto-cyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]butyrate Formula: C17H15ClNNaO3 MolecularWeight: 339.74867

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClNO3.Na/c18-13-8-9-15(20)14(11-13)17(12-5-2-1-3-6-12)19-10-4-7-16(21)22;/h1-3,5-6,8-9,11,19H,4,7,10H2,(H,21,22);/q;+1/p-1/b17-14-;