3-[[(E)-2-(furan-2-ylcarbonylamino)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[(E)-2-(furan-2-ylcarbonylamino)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[(E)-2-(furan-2-carbonylamino)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[(E)-2-[[2-furanyl(oxo)methyl]amino]-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[(E)-2-(furan-2-carbonylamino)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[(E)-2-(2-furoylamino)-3-(4-nitrophenyl)acryloyl]amino]benzoic acid Formula: C21H15N3O7 MolecularWeight: 421.3597

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C(=CC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CO3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/NC(=O)C3=CC=CO3)C(=O)O

InChI

InChI=1S/C21H15N3O7/c25-19(22-15-4-1-3-14(12-15)21(27)28)17(23-20(26)18-5-2-10-31-18)11-13-6-8-16(9-7-13)24(29)30/h1-12H,(H,22,25)(H,23,26)(H,27,28)/b17-11+