3-methyl-5-[[(E)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 3-methyl-5-[[(E)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-3-methyl-5-[[(E)-3-[5-(2-nitrophenyl)-2-furyl]prop-2-enoyl]amino]benzoic acid CAS Name: 2-hydroxy-3-methyl-5-[[(E)-3-[5-(2-nitrophenyl)-2-furanyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-hydroxy-3-methyl-5-[[(E)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid Traditional Name: 2-hydroxy-3-methyl-5-[[(E)-3-[5-(2-nitrophenyl)-2-furyl]acryloyl]amino]benzoic acid Formula: C21H16N2O7 MolecularWeight: 408.36094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)NC(=O)C=CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])C(=O)O)O

Isomeric SMILES

CC1=C(C(=CC(=C1)NC(=O)/C=C/C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])C(=O)O)O

InChI

InChI=1S/C21H16N2O7/c1-12-10-13(11-16(20(12)25)21(26)27)22-19(24)9-7-14-6-8-18(30-14)15-4-2-3-5-17(15)23(28)29/h2-11,25H,1H3,(H,22,24)(H,26,27)/b9-7+