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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1[N+](=O)[O-])C(=O)NC2=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

C/C(=C\C1=CC=CC=C1[N+](=O)[O-])/C(=O)NC2=C(C=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C17H13ClN2O5/c1-10(8-11-4-2-3-5-15(11)20(24)25)16(21)19-14-9-12(17(22)23)6-7-13(14)18/h2-9H,1H3,(H,19,21)(H,22,23)/b10-8+