3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-5-(3-nitrophenyl)thiophene-2-carboxylic acid

Systemtic Name: 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-5-(3-nitrophenyl)thiophene-2-carboxylic acid Openeye Name: 3-[[(E)-3-(2-furyl)prop-2-enoyl]amino]-5-(3-nitrophenyl)thiophene-2-carboxylic acid CAS Name: 3-[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-5-(3-nitrophenyl)-2-thiophenecarboxylic acid IUPAC Name: 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-5-(3-nitrophenyl)thiophene-2-carboxylic acid Traditional Name: 3-[[(E)-3-(2-furyl)acryloyl]amino]-5-(3-nitrophenyl)-2-thenoic acid Formula: C18H12N2O6S MolecularWeight: 384.36268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC(=C(S2)C(=O)O)NC(=O)C=CC3=CC=CO3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC(=C(S2)C(=O)O)NC(=O)/C=C/C3=CC=CO3

InChI

InChI=1S/C18H12N2O6S/c21-16(7-6-13-5-2-8-26-13)19-14-10-15(27-17(14)18(22)23)11-3-1-4-12(9-11)20(24)25/h1-10H,(H,19,21)(H,22,23)/b7-6+