2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamoyl]-6-nitro-benzoic acid

Systemtic Name: 2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamoyl]-6-nitro-benzoic acid Openeye Name: 2-[[4-(2-naphthyl)thiazol-2-yl]carbamoyl]-6-nitro-benzoic acid CAS Name: 2-[[[4-(2-naphthalenyl)-2-thiazolyl]amino]-oxomethyl]-6-nitrobenzoic acid IUPAC Name: 2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamoyl]-6-nitrobenzoic acid Traditional Name: 2-[[4-(2-naphthyl)thiazol-2-yl]carbamoyl]-6-nitro-benzoic acid Formula: C21H13N3O5S MolecularWeight: 419.41002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C3=CSC(=N3)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C3=CSC(=N3)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H13N3O5S/c25-19(15-6-3-7-17(24(28)29)18(15)20(26)27)23-21-22-16(11-30-21)14-9-8-12-4-1-2-5-13(12)10-14/h1-11H,(H,26,27)(H,22,23,25)