N-[(2S)-1-azanyl-3-methyl-1-oxidanylidene-pentan-2-yl]-3-nitro-4-[4-(2-oxidanylidene-5H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzamide

Systemtic Name: N-[(2S)-1-azanyl-3-methyl-1-oxidanylidene-pentan-2-yl]-3-nitro-4-[4-(2-oxidanylidene-5H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzamide Openeye Name: N-[(1S)-1-carbamoyl-2-methyl-butyl]-3-nitro-4-[4-(2-oxo-5H-3,1-benzoxazin-1-yl)-1-piperidyl]benzamide CAS Name: N-[(2S)-1-amino-3-methyl-1-oxopentan-2-yl]-3-nitro-4-[4-(2-oxo-5H-3,1-benzoxazin-1-yl)-1-piperidinyl]benzamide IUPAC Name: N-[(2S)-1-amino-3-methyl-1-oxopentan-2-yl]-3-nitro-4-[4-(2-oxo-5H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzamide Traditional Name: N-[(1S)-1-carbamoyl-2-methyl-butyl]-4-[4-(2-keto-5H-3,1-benzoxazin-1-yl)piperidino]-3-nitro-benzamide Formula: C26H31N5O6 MolecularWeight: 509.55424

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N)NC(=O)C1=CC(=C(C=C1)N2CCC(CC2)N3C4=CC=CCC4=COC3=O)[N+](=O)[O-]

Isomeric SMILES

CCC(C)[C@@H](C(=O)N)NC(=O)C1=CC(=C(C=C1)N2CCC(CC2)N3C4=CC=CCC4=COC3=O)[N+](=O)[O-]

InChI

InChI=1S/C26H31N5O6/c1-3-16(2)23(24(27)32)28-25(33)17-8-9-21(22(14-17)31(35)36)29-12-10-19(11-13-29)30-20-7-5-4-6-18(20)15-37-26(30)34/h4-5,7-9,14-16,19,23H,3,6,10-13H2,1-2H3,(H2,27,32)(H,28,33)/t16?,23-/m0/s1