N-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-[(2S)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]-1-(2-nitrophenyl)isonipecotamide Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C[C@H]1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5/c1-13-20(26)23-16-12-15(6-7-19(16)30-13)22-21(27)14-8-10-24(11-9-14)17-4-2-3-5-18(17)25(28)29/h2-7,12-14H,8-11H2,1H3,(H,22,27)(H,23,26)/t13-/m0/s1