(phenylmethyl) 2-[(7-nitro-3-oxidanyl-2H-chromen-2-yl)carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[(7-nitro-3-oxidanyl-2H-chromen-2-yl)carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[(3-hydroxy-7-nitro-2H-chromen-2-yl)carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[(3-hydroxy-7-nitro-2H-1-benzopyran-2-yl)amino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(3-hydroxy-7-nitro-2H-chromen-2-yl)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[(3-hydroxy-7-nitro-2H-chromen-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C22H21N3O7 MolecularWeight: 439.41804

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3C(=CC4=C(O3)C=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3C(=CC4=C(O3)C=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C22H21N3O7/c26-18-11-15-8-9-16(25(29)30)12-19(15)32-21(18)23-20(27)17-7-4-10-24(17)22(28)31-13-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,17,21,26H,4,7,10,13H2,(H,23,27)