N-[2-methoxy-5-(2-oxidanylidenechromen-3-yl)phenyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[2-methoxy-5-(2-oxidanylidenechromen-3-yl)phenyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[2-methoxy-5-(2-oxo-1-benzopyran-3-yl)phenyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[5-(2-ketochromen-3-yl)-2-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=C(C=C1)C2=CC3=CC=CC=C3OC2=O)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC3=CC=CC=C3OC2=O)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C28H25N3O6/c1-36-26-12-10-18(21-15-19-7-3-4-8-25(19)37-28(21)33)16-22(26)29-27(32)20-9-11-23(24(17-20)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)