4-[[[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamoylamino]benzoic acid

Systemtic Name: 4-[[[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamoylamino]benzoic acid Openeye Name: 4-[[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamoylamino]benzoic acid CAS Name: 4-[[oxo-[[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]hydrazo]methyl]amino]benzoic acid IUPAC Name: 4-[[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamoylamino]benzoic acid Traditional Name: 4-[[[(E)-(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamoylamino]benzoic acid Formula: C15H13N3O4 MolecularWeight: 299.28142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CNNC(=O)NC2=CC=C(C=C2)C(=O)O)C(=O)C=C1

Isomeric SMILES

C1=C/C(=C\NNC(=O)NC2=CC=C(C=C2)C(=O)O)/C(=O)C=C1

InChI

InChI=1S/C15H13N3O4/c19-13-4-2-1-3-11(13)9-16-18-15(22)17-12-7-5-10(6-8-12)14(20)21/h1-9,16H,(H,20,21)(H2,17,18,22)/b11-9+