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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClN2O5/c1-10-2-5-12(17(22)23)9-14(10)19-16(21)7-4-11-3-6-13(18)15(8-11)20(24)25/h2-9H,1H3,(H,19,21)(H,22,23)/b7-4+