N-[(E)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[(E)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[(E)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-2-methyl-3-nitro-benzamide CAS Name: N-[(E)-amino(1,3-benzoxazol-2-ylimino)methyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[(E)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[(E)-N'-(1,3-benzoxazol-2-yl)amidino]-2-methyl-3-nitro-benzamide Formula: C16H13N5O4 MolecularWeight: 339.30552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=NC2=NC3=CC=CC=C3O2)N

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N/C(=N/C2=NC3=CC=CC=C3O2)/N

InChI

InChI=1S/C16H13N5O4/c1-9-10(5-4-7-12(9)21(23)24)14(22)19-15(17)20-16-18-11-6-2-3-8-13(11)25-16/h2-8H,1H3,(H3,17,18,19,20,22)