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

Systemtic Name: 5-[[[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]amino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[(E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[(E)-3-(4-chloro-3-nitrophenyl)-1-oxoprop-2-enyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[(E)-3-(4-chloro-3-nitro-phenyl)acryloyl]amino]methyl]-2-methoxy-benzoic acid Formula: C18H15ClN2O6 MolecularWeight: 390.7745

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H15ClN2O6/c1-27-16-6-3-12(8-13(16)18(23)24)10-20-17(22)7-4-11-2-5-14(19)15(9-11)21(25)26/h2-9H,10H2,1H3,(H,20,22)(H,23,24)/b7-4+