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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=C(C(=O)NC2=CC=CC(=C2)C(=O)O)NC(=O)C3=CC=CO3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])/C=C(/C(=O)NC2=CC=CC(=C2)C(=O)O)\NC(=O)C3=CC=CO3

InChI

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