4-[[5-methyl-3-[(3-nitrophenyl)methylcarbamoyl]thiophen-2-yl]carbamoyl]benzoic acid

Systemtic Name: 4-[[5-methyl-3-[(3-nitrophenyl)methylcarbamoyl]thiophen-2-yl]carbamoyl]benzoic acid Openeye Name: 4-[[5-methyl-3-[(3-nitrophenyl)methylcarbamoyl]-2-thienyl]carbamoyl]benzoic acid CAS Name: 4-[[[5-methyl-3-[[(3-nitrophenyl)methylamino]-oxomethyl]-2-thiophenyl]amino]-oxomethyl]benzoic acid IUPAC Name: 4-[[5-methyl-3-[(3-nitrophenyl)methylcarbamoyl]thiophen-2-yl]carbamoyl]benzoic acid Traditional Name: 4-[[5-methyl-3-[(3-nitrobenzyl)carbamoyl]-2-thienyl]carbamoyl]benzoic acid Formula: C21H17N3O6S MolecularWeight: 439.44118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)O)C(=O)NCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)O)C(=O)NCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O6S/c1-12-9-17(19(26)22-11-13-3-2-4-16(10-13)24(29)30)20(31-12)23-18(25)14-5-7-15(8-6-14)21(27)28/h2-10H,11H2,1H3,(H,22,26)(H,23,25)(H,27,28)