(5S,6R)-6-(3-azanyl-4-oxidanyl-phenyl)-4-(2-bromophenyl)-5-nitro-1-(pyridin-3-ylmethyl)piperidin-2-one

Systemtic Name: (5S,6R)-6-(3-azanyl-4-oxidanyl-phenyl)-4-(2-bromophenyl)-5-nitro-1-(pyridin-3-ylmethyl)piperidin-2-one Openeye Name: (5S,6R)-6-(3-amino-4-hydroxy-phenyl)-4-(2-bromophenyl)-5-nitro-1-(3-pyridylmethyl)piperidin-2-one CAS Name: (5S,6R)-6-(3-amino-4-hydroxyphenyl)-4-(2-bromophenyl)-5-nitro-1-(3-pyridinylmethyl)-2-piperidinone IUPAC Name: (5S,6R)-6-(3-amino-4-hydroxyphenyl)-4-(2-bromophenyl)-5-nitro-1-(pyridin-3-ylmethyl)piperidin-2-one Traditional Name: (5S,6R)-6-(3-amino-4-hydroxy-phenyl)-4-(2-bromophenyl)-5-nitro-1-(3-pyridylmethyl)-2-piperidone Formula: C23H21BrN4O4 MolecularWeight: 497.34124

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(N(C1=O)CC2=CN=CC=C2)C3=CC(=C(C=C3)O)N)[N+](=O)[O-])C4=CC=CC=C4Br

Isomeric SMILES

C1C([C@@H]([C@H](N(C1=O)CC2=CN=CC=C2)C3=CC(=C(C=C3)O)N)[N+](=O)[O-])C4=CC=CC=C4Br

InChI

InChI=1S/C23H21BrN4O4/c24-18-6-2-1-5-16(18)17-11-21(30)27(13-14-4-3-9-26-12-14)22(23(17)28(31)32)15-7-8-20(29)19(25)10-15/h1-10,12,17,22-23,29H,11,13,25H2/t17?,22-,23+/m1/s1