4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-(1H-1,2,4-triazol-5-yl)butanimidate

Systemtic Name: 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-(1H-1,2,4-triazol-5-yl)butanimidate Openeye Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-(1H-1,2,4-triazol-5-yl)butanimidate CAS Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-(1H-1,2,4-triazol-5-yl)butanimidate IUPAC Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-(1H-1,2,4-triazol-5-yl)butanimidate Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)-N-(1H-1,2,4-triazol-5-yl)butyrimidate Formula: C13H11N6O5- MolecularWeight: 331.26364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])OC(=O)N2CCCC(=NC3=NC=NN3)[O-]

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])OC(=O)N2CCCC(=NC3=NC=NN3)[O-]

InChI

InChI=1S/C13H12N6O5/c20-11(16-12-14-7-15-17-12)2-1-5-18-9-4-3-8(19(22)23)6-10(9)24-13(18)21/h3-4,6-7H,1-2,5H2,(H2,14,15,16,17,20)/p-1