5-[aminocarbonyl-(4-nitrophenyl)amino]-3-(4-chlorophenyl)-2,2-dimethyl-3H-furan-4-carboxylic acid

Systemtic Name: 5-[aminocarbonyl-(4-nitrophenyl)amino]-3-(4-chlorophenyl)-2,2-dimethyl-3H-furan-4-carboxylic acid Openeye Name: 5-(N-carbamoyl-4-nitro-anilino)-3-(4-chlorophenyl)-2,2-dimethyl-3H-furan-4-carboxylic acid CAS Name: 5-(N-carbamoyl-4-nitroanilino)-3-(4-chlorophenyl)-2,2-dimethyl-3H-furan-4-carboxylic acid IUPAC Name: 5-(N-carbamoyl-4-nitroanilino)-3-(4-chlorophenyl)-2,2-dimethyl-3H-furan-4-carboxylic acid Traditional Name: 5-(N-carbamoyl-4-nitro-anilino)-3-(4-chlorophenyl)-2,2-dimethyl-3H-furan-4-carboxylic acid Formula: C20H18ClN3O6 MolecularWeight: 431.82642

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(=C(O1)N(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)N)C(=O)O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1(C(C(=C(O1)N(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)N)C(=O)O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C20H18ClN3O6/c1-20(2)16(11-3-5-12(21)6-4-11)15(18(25)26)17(30-20)23(19(22)27)13-7-9-14(10-8-13)24(28)29/h3-10,16H,1-2H3,(H2,22,27)(H,25,26)