[(2S)-4-[(4-nitrophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-yl-methanone

Systemtic Name: [(2S)-4-[(4-nitrophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-yl-methanone Openeye Name: [(2S)-4-[(4-nitrophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-(1-piperidyl)methanone CAS Name: [(2S)-4-[(4-nitrophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-(1-piperidinyl)methanone IUPAC Name: [(2S)-4-[(4-nitrophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone Traditional Name: [(2S)-4-(4-nitrobenzyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidino-methanone Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2CN(C3=CC=CC=C3O2)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)[C@@H]2CN(C3=CC=CC=C3O2)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O4/c25-21(22-12-4-1-5-13-22)20-15-23(18-6-2-3-7-19(18)28-20)14-16-8-10-17(11-9-16)24(26)27/h2-3,6-11,20H,1,4-5,12-15H2/t20-/m0/s1