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

Systemtic Name: 4-[[2,3-bis(bromanyl)-5-ethoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methylamino]-3-methyl-benzoic acid Openeye Name: 4-[(2,3-dibromo-5-ethoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-methyl-benzoic acid CAS Name: 4-[(2,3-dibromo-5-ethoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-3-methylbenzoic acid IUPAC Name: 4-[(2,3-dibromo-5-ethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-3-methylbenzoic acid Traditional Name: 4-[(2,3-dibromo-5-ethoxy-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-methyl-benzoic acid Formula: C17H15Br2NO4 MolecularWeight: 457.1133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15Br2NO4/c1-3-24-14-7-12(18)15(19)11(16(14)21)8-20-13-5-4-10(17(22)23)6-9(13)2/h4-8,20H,3H2,1-2H3,(H,22,23)