2-azanyl-N-[(E)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-5-nitro-benzamide

Systemtic Name: 2-azanyl-N-[(E)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-5-nitro-benzamide Openeye Name: 2-amino-N-[(E)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-5-nitro-benzamide CAS Name: 2-amino-N-[(E)-amino(1,3-benzoxazol-2-ylimino)methyl]-5-nitrobenzamide IUPAC Name: 2-amino-N-[(E)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-5-nitrobenzamide Traditional Name: 2-amino-N-[(E)-N'-(1,3-benzoxazol-2-yl)amidino]-5-nitro-benzamide Formula: C15H12N6O4 MolecularWeight: 340.29358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)N=C(N)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)/N=C(\N)/NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N

InChI

InChI=1S/C15H12N6O4/c16-10-6-5-8(21(23)24)7-9(10)13(22)19-14(17)20-15-18-11-3-1-2-4-12(11)25-15/h1-7H,16H2,(H3,17,18,19,20,22)