methyl 4-[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(4-methyl-2-nitro-anilino)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-(4-methyl-2-nitroanilino)-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-methyl-2-nitroanilino)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-keto-2-(4-methyl-2-nitro-anilino)ethoxy]-3-nitro-benzoic acid methyl ester Formula: C17H15N3O8 MolecularWeight: 389.3163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O8/c1-10-3-5-12(13(7-10)19(23)24)18-16(21)9-28-15-6-4-11(17(22)27-2)8-14(15)20(25)26/h3-8H,9H2,1-2H3,(H,18,21)