methyl 4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethoxy]-3-nitro-benzoic acid methyl ester Formula: C14H13N3O7 MolecularWeight: 335.26892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O7/c1-8-5-12(16-24-8)15-13(18)7-23-11-4-3-9(14(19)22-2)6-10(11)17(20)21/h3-6H,7H2,1-2H3,(H,15,16,18)