2-[(Z)-1-(2-bromanyl-3-nitro-phenyl)-3-methoxy-3-oxidanylidene-prop-1-en-2-yl]benzoic acid

Systemtic Name: 2-[(Z)-1-(2-bromanyl-3-nitro-phenyl)-3-methoxy-3-oxidanylidene-prop-1-en-2-yl]benzoic acid Openeye Name: 2-[(Z)-2-(2-bromo-3-nitro-phenyl)-1-methoxycarbonyl-vinyl]benzoic acid CAS Name: 2-[(Z)-1-(2-bromo-3-nitrophenyl)-3-methoxy-3-oxoprop-1-en-2-yl]benzoic acid IUPAC Name: 2-[(Z)-1-(2-bromo-3-nitrophenyl)-3-methoxy-3-oxoprop-1-en-2-yl]benzoic acid Traditional Name: 2-[(Z)-2-(2-bromo-3-nitro-phenyl)-1-carbomethoxy-vinyl]benzoic acid Formula: C17H12BrNO6 MolecularWeight: 406.18428

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=C(C(=CC=C1)[N+](=O)[O-])Br)C2=CC=CC=C2C(=O)O

Isomeric SMILES

COC(=O)/C(=C\C1=C(C(=CC=C1)[N+](=O)[O-])Br)/C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C17H12BrNO6/c1-25-17(22)13(11-6-2-3-7-12(11)16(20)21)9-10-5-4-8-14(15(10)18)19(23)24/h2-9H,1H3,(H,20,21)/b13-9-