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

Systemtic Name: 5-[[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]amino]-3-methyl-2-oxidanyl-benzoic acid Openeye Name: 5-[[(E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoyl]amino]-2-hydroxy-3-methyl-benzoic acid CAS Name: 5-[[(E)-3-(4-chloro-3-nitrophenyl)-1-oxoprop-2-enyl]amino]-2-hydroxy-3-methylbenzoic acid IUPAC Name: 5-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]-2-hydroxy-3-methylbenzoic acid Traditional Name: 5-[[(E)-3-(4-chloro-3-nitro-phenyl)acryloyl]amino]-2-hydroxy-3-methyl-benzoic acid Formula: C17H13ClN2O6 MolecularWeight: 376.74792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)NC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)O)O

Isomeric SMILES

CC1=C(C(=CC(=C1)NC(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)O)O

InChI

InChI=1S/C17H13ClN2O6/c1-9-6-11(8-12(16(9)22)17(23)24)19-15(21)5-3-10-2-4-13(18)14(7-10)20(25)26/h2-8,22H,1H3,(H,19,21)(H,23,24)/b5-3+