[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl] 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl] 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: 1-[(5-methylisoxazol-3-yl)carbamoyl]propyl 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid [1-[(5-methyl-3-isoxazolyl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid 1-[(5-methylisoxazol-3-yl)carbamoyl]propyl ester Formula: C16H15N3O8 MolecularWeight: 377.3056

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NOC(=C1)C)OC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CCC(C(=O)NC1=NOC(=C1)C)OC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C16H15N3O8/c1-3-11(15(20)17-14-4-8(2)27-18-14)26-16(21)9-5-12-13(25-7-24-12)6-10(9)19(22)23/h4-6,11H,3,7H2,1-2H3,(H,17,18,20)