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

Systemtic Name: 4-[[(E)-2-(furan-2-ylcarbonylamino)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-2-(furan-2-carbonylamino)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-2-[[2-furanyl(oxo)methyl]amino]-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-2-(furan-2-carbonylamino)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(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=COC(=C1)C(=O)NC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=COC(=C1)C(=O)N/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

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