4-[[(E)-(3-bromanyl-5-ethoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-3-methyl-benzoic acid

Systemtic Name: 4-[[(E)-(3-bromanyl-5-ethoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-3-methyl-benzoic acid Openeye Name: 4-[[(E)-(3-bromo-5-ethoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[(E)-(3-bromo-5-ethoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[(E)-(3-bromo-5-ethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[(E)-(3-bromo-5-ethoxy-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-3-methyl-benzoic acid Formula: C17H16BrNO4 MolecularWeight: 378.21724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=CNC2=C(C=C(C=C2)C(=O)O)C)C1=O)Br

Isomeric SMILES

CCOC1=CC(=C/C(=C\NC2=C(C=C(C=C2)C(=O)O)C)/C1=O)Br

InChI

InChI=1S/C17H16BrNO4/c1-3-23-15-8-13(18)7-12(16(15)20)9-19-14-5-4-11(17(21)22)6-10(14)2/h4-9,19H,3H2,1-2H3,(H,21,22)/b12-9+