N-[[4-(aminocarbonylamino)phenyl]methyl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-[[4-(aminocarbonylamino)phenyl]methyl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-ureidophenyl)methyl]acetamide CAS Name: N-[[4-(carbamoylamino)phenyl]methyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-[[4-(carbamoylamino)phenyl]methyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: 2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)-N-(4-ureidobenzyl)acetamide Formula: C18H17N5O6 MolecularWeight: 399.35748

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)NCC3=CC=C(C=C3)NC(=O)N

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)NCC3=CC=C(C=C3)NC(=O)N

InChI

InChI=1S/C18H17N5O6/c19-18(26)21-12-3-1-11(2-4-12)8-20-16(24)9-22-14-7-13(23(27)28)5-6-15(14)29-10-17(22)25/h1-7H,8-10H2,(H,20,24)(H3,19,21,26)