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

Systemtic Name: N-[3-methyl-4-(2-oxidanylidenechromen-3-yl)phenyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[3-methyl-4-(2-oxochromen-3-yl)phenyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[3-methyl-4-(2-oxo-1-benzopyran-3-yl)phenyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[3-methyl-4-(2-oxochromen-3-yl)phenyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[4-(2-ketochromen-3-yl)-3-methyl-phenyl]-3-nitro-4-piperidino-benzamide Formula: C28H25N3O5 MolecularWeight: 483.5152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C28H25N3O5/c1-18-15-21(10-11-22(18)23-16-19-7-3-4-8-26(19)36-28(23)33)29-27(32)20-9-12-24(25(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)