N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide

Systemtic Name: N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide Openeye Name: N-[(4R)-chroman-4-yl]-4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzamide CAS Name: N-[(4R)-3,4-dihydro-2H-1-benzopyran-4-yl]-4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzamide IUPAC Name: N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzamide Traditional Name: N-[(4R)-chroman-4-yl]-4-[(3S)-3-methylpiperidino]-3-nitro-benzamide Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3CCOC4=CC=CC=C34)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)N[C@@H]3CCOC4=CC=CC=C34)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O4/c1-15-5-4-11-24(14-15)19-9-8-16(13-20(19)25(27)28)22(26)23-18-10-12-29-21-7-3-2-6-17(18)21/h2-3,6-9,13,15,18H,4-5,10-12,14H2,1H3,(H,23,26)/t15-,18+/m0/s1