[4-[(2-methoxy-4-nitro-phenyl)amino]piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: [4-[(2-methoxy-4-nitro-phenyl)amino]piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [4-(2-methoxy-4-nitro-anilino)-1-piperidyl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [4-(2-methoxy-4-nitroanilino)-1-piperidinyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [4-(2-methoxy-4-nitroanilino)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [4-(2-methoxy-4-nitro-anilino)piperidino]-(3,4,5-trimethoxyphenyl)methanone Formula: C22H27N3O7 MolecularWeight: 445.46568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(CC2)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(CC2)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H27N3O7/c1-29-18-13-16(25(27)28)5-6-17(18)23-15-7-9-24(10-8-15)22(26)14-11-19(30-2)21(32-4)20(12-14)31-3/h5-6,11-13,15,23H,7-10H2,1-4H3