N-[(2-aminophenyl)methyl]-3-nitro-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzamide

Systemtic Name: N-[(2-aminophenyl)methyl]-3-nitro-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzamide Openeye Name: N-[(2-aminophenyl)methyl]-3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidyl]benzamide CAS Name: N-[(2-aminophenyl)methyl]-3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidinyl]benzamide IUPAC Name: N-[(2-aminophenyl)methyl]-3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzamide Traditional Name: N-(2-aminobenzyl)-4-[4-(2-keto-4H-3,1-benzoxazin-1-yl)piperidino]-3-nitro-benzamide Formula: C27H27N5O5 MolecularWeight: 501.53378

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3COC2=O)C4=C(C=C(C=C4)C(=O)NCC5=CC=CC=C5N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3COC2=O)C4=C(C=C(C=C4)C(=O)NCC5=CC=CC=C5N)[N+](=O)[O-]

InChI

InChI=1S/C27H27N5O5/c28-22-7-3-1-5-19(22)16-29-26(33)18-9-10-24(25(15-18)32(35)36)30-13-11-21(12-14-30)31-23-8-4-2-6-20(23)17-37-27(31)34/h1-10,15,21H,11-14,16-17,28H2,(H,29,33)