N-[3-methoxy-4-(2-oxidanylidenechromen-3-yl)phenyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[3-methoxy-4-(2-oxidanylidenechromen-3-yl)phenyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[3-methoxy-4-(2-oxo-1-benzopyran-3-yl)phenyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[4-(2-ketochromen-3-yl)-3-methoxy-phenyl]-3-nitro-4-piperidino-benzamide Formula: C28H25N3O6 MolecularWeight: 499.5146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C28H25N3O6/c1-36-26-17-20(10-11-21(26)22-15-18-7-3-4-8-25(18)37-28(22)33)29-27(32)19-9-12-23(24(16-19)31(34)35)30-13-5-2-6-14-30/h3-4,7-12,15-17H,2,5-6,13-14H2,1H3,(H,29,32)