3-chloranyl-5-[[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]amino]-4-methoxy-benzoic acid

Systemtic Name: 3-chloranyl-5-[[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]amino]-4-methoxy-benzoic acid Openeye Name: 3-chloro-5-[[(E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoyl]amino]-4-methoxy-benzoic acid CAS Name: 3-chloro-5-[[(E)-3-(4-chloro-3-nitrophenyl)-1-oxoprop-2-enyl]amino]-4-methoxybenzoic acid IUPAC Name: 3-chloro-5-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]-4-methoxybenzoic acid Traditional Name: 3-chloro-5-[[(E)-3-(4-chloro-3-nitro-phenyl)acryloyl]amino]-4-methoxy-benzoic acid Formula: C17H12Cl2N2O6 MolecularWeight: 411.19298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Cl)C(=O)O)NC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1Cl)C(=O)O)NC(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H12Cl2N2O6/c1-27-16-12(19)7-10(17(23)24)8-13(16)20-15(22)5-3-9-2-4-11(18)14(6-9)21(25)26/h2-8H,1H3,(H,20,22)(H,23,24)/b5-3+