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

Systemtic Name: 3-[[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]amino]-2-methyl-benzoic acid Openeye Name: 3-[[(E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoyl]amino]-2-methyl-benzoic acid CAS Name: 3-[[(E)-3-(4-chloro-3-nitrophenyl)-1-oxoprop-2-enyl]amino]-2-methylbenzoic acid IUPAC Name: 3-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]-2-methylbenzoic acid Traditional Name: 3-[[(E)-3-(4-chloro-3-nitro-phenyl)acryloyl]amino]-2-methyl-benzoic acid Formula: C17H13ClN2O5 MolecularWeight: 360.74852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H13ClN2O5/c1-10-12(17(22)23)3-2-4-14(10)19-16(21)8-6-11-5-7-13(18)15(9-11)20(24)25/h2-9H,1H3,(H,19,21)(H,22,23)/b8-6+