methyl 2-[(1-cyclopropylpiperidin-4-yl)amino]-5-nitro-benzoate

Systemtic Name: methyl 2-[(1-cyclopropylpiperidin-4-yl)amino]-5-nitro-benzoate Openeye Name: methyl 2-[(1-cyclopropyl-4-piperidyl)amino]-5-nitro-benzoate CAS Name: 2-[(1-cyclopropyl-4-piperidinyl)amino]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[(1-cyclopropylpiperidin-4-yl)amino]-5-nitrobenzoate Traditional Name: 2-[(1-cyclopropyl-4-piperidyl)amino]-5-nitro-benzoic acid methyl ester Formula: C16H21N3O4 MolecularWeight: 319.35564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC2CCN(CC2)C3CC3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC2CCN(CC2)C3CC3

InChI

InChI=1S/C16H21N3O4/c1-23-16(20)14-10-13(19(21)22)4-5-15(14)17-11-6-8-18(9-7-11)12-2-3-12/h4-5,10-12,17H,2-3,6-9H2,1H3