2-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)carbamoyl]-6-nitro-benzoic acid

Systemtic Name: 2-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)carbamoyl]-6-nitro-benzoic acid Openeye Name: 2-[(3-ethoxycarbonyl-4-phenyl-2-thienyl)carbamoyl]-6-nitro-benzoic acid CAS Name: 2-[[(3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-oxomethyl]-6-nitrobenzoic acid IUPAC Name: 2-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)carbamoyl]-6-nitrobenzoic acid Traditional Name: 2-[(3-carbethoxy-4-phenyl-2-thienyl)carbamoyl]-6-nitro-benzoic acid Formula: C21H16N2O7S MolecularWeight: 440.42594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H16N2O7S/c1-2-30-21(27)17-14(12-7-4-3-5-8-12)11-31-19(17)22-18(24)13-9-6-10-15(23(28)29)16(13)20(25)26/h3-11H,2H2,1H3,(H,22,24)(H,25,26)