2-[(4-bromophenyl)methyl-methyl-amino]-N-(7-nitro-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethanamide

Systemtic Name: 2-[(4-bromophenyl)methyl-methyl-amino]-N-(7-nitro-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethanamide Openeye Name: 2-[(4-bromophenyl)methyl-methyl-amino]-N-(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide CAS Name: 2-[(4-bromophenyl)methyl-methylamino]-N-(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide IUPAC Name: 2-[(4-bromophenyl)methyl-methylamino]-N-(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide Traditional Name: 2-[(4-bromobenzyl)-methyl-amino]-N-(3-keto-7-nitro-4H-1,4-benzoxazin-6-yl)acetamide Formula: C18H17BrN4O5 MolecularWeight: 449.25538

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)Br)CC(=O)NC2=C(C=C3C(=C2)NC(=O)CO3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=C(C=C1)Br)CC(=O)NC2=C(C=C3C(=C2)NC(=O)CO3)[N+](=O)[O-]

InChI

InChI=1S/C18H17BrN4O5/c1-22(8-11-2-4-12(19)5-3-11)9-17(24)20-13-6-14-16(7-15(13)23(26)27)28-10-18(25)21-14/h2-7H,8-10H2,1H3,(H,20,24)(H,21,25)