2-[(Z)-1-(2-bromophenyl)-3-methoxy-3-oxidanylidene-prop-1-en-2-yl]-5-nitro-benzoic acid

Systemtic Name: 2-[(Z)-1-(2-bromophenyl)-3-methoxy-3-oxidanylidene-prop-1-en-2-yl]-5-nitro-benzoic acid Openeye Name: 2-[(Z)-2-(2-bromophenyl)-1-methoxycarbonyl-vinyl]-5-nitro-benzoic acid CAS Name: 2-[(Z)-1-(2-bromophenyl)-3-methoxy-3-oxoprop-1-en-2-yl]-5-nitrobenzoic acid IUPAC Name: 2-[(Z)-1-(2-bromophenyl)-3-methoxy-3-oxoprop-1-en-2-yl]-5-nitrobenzoic acid Traditional Name: 2-[(Z)-2-(2-bromophenyl)-1-carbomethoxy-vinyl]-5-nitro-benzoic acid Formula: C17H12BrNO6 MolecularWeight: 406.18428

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CC=CC=C1Br)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC(=O)/C(=C\C1=CC=CC=C1Br)/C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H12BrNO6/c1-25-17(22)14(8-10-4-2-3-5-15(10)18)12-7-6-11(19(23)24)9-13(12)16(20)21/h2-9H,1H3,(H,20,21)/b14-8-