methyl 2-[(1-cyclopropyl-4-nitro-pyrrol-2-yl)carbonyl-methyl-amino]ethanoate

Systemtic Name: methyl 2-[(1-cyclopropyl-4-nitro-pyrrol-2-yl)carbonyl-methyl-amino]ethanoate Openeye Name: methyl 2-[(1-cyclopropyl-4-nitro-pyrrole-2-carbonyl)-methyl-amino]acetate CAS Name: 2-[[(1-cyclopropyl-4-nitro-2-pyrrolyl)-oxomethyl]-methylamino]acetic acid methyl ester IUPAC Name: methyl 2-[(1-cyclopropyl-4-nitropyrrole-2-carbonyl)-methylamino]acetate Traditional Name: 2-[(1-cyclopropyl-4-nitro-pyrrole-2-carbonyl)-methyl-amino]acetic acid methyl ester Formula: C12H15N3O5 MolecularWeight: 281.2646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OC)C(=O)C1=CC(=CN1C2CC2)[N+](=O)[O-]

Isomeric SMILES

CN(CC(=O)OC)C(=O)C1=CC(=CN1C2CC2)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O5/c1-13(7-11(16)20-2)12(17)10-5-9(15(18)19)6-14(10)8-3-4-8/h5-6,8H,3-4,7H2,1-2H3