N-[2-(4-methylpentan-2-ylamino)ethyl]-3-nitro-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzamide

Systemtic Name: N-[2-(4-methylpentan-2-ylamino)ethyl]-3-nitro-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzamide Openeye Name: N-[2-(1,3-dimethylbutylamino)ethyl]-3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidyl]benzamide CAS Name: N-[2-(4-methylpentan-2-ylamino)ethyl]-3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidinyl]benzamide IUPAC Name: N-[2-(4-methylpentan-2-ylamino)ethyl]-3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzamide Traditional Name: N-[2-(1,3-dimethylbutylamino)ethyl]-4-[4-(2-keto-4H-3,1-benzoxazin-1-yl)piperidino]-3-nitro-benzamide Formula: C28H37N5O5 MolecularWeight: 523.62388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)NCCNC(=O)C1=CC(=C(C=C1)N2CCC(CC2)N3C4=CC=CC=C4COC3=O)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(C)NCCNC(=O)C1=CC(=C(C=C1)N2CCC(CC2)N3C4=CC=CC=C4COC3=O)[N+](=O)[O-]

InChI

InChI=1S/C28H37N5O5/c1-19(2)16-20(3)29-12-13-30-27(34)21-8-9-25(26(17-21)33(36)37)31-14-10-23(11-15-31)32-24-7-5-4-6-22(24)18-38-28(32)35/h4-9,17,19-20,23,29H,10-16,18H2,1-3H3,(H,30,34)