[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-nitro-1H-pyrrole-2-carboxylate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-nitro-1H-pyrrole-2-carboxylate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 4-nitro-1H-pyrrole-2-carboxylate CAS Name: 4-nitro-1H-pyrrole-2-carboxylic acid [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-nitro-1H-pyrrole-2-carboxylate Traditional Name: 4-nitro-1H-pyrrole-2-carboxylic acid [(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C15H13N3O7 MolecularWeight: 347.27962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC(=CN3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC(=CN3)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O7/c1-8(25-15(20)11-5-10(6-16-11)18(21)22)14(19)17-9-2-3-12-13(4-9)24-7-23-12/h2-6,8,16H,7H2,1H3,(H,17,19)/t8-/m1/s1