methyl 4-[4-[(4-chloranyl-2-nitro-phenyl)amino]phenoxy]-3-oxidanylidene-pentanoate

Systemtic Name: methyl 4-[4-[(4-chloranyl-2-nitro-phenyl)amino]phenoxy]-3-oxidanylidene-pentanoate Openeye Name: methyl 4-[4-(4-chloro-2-nitro-anilino)phenoxy]-3-oxo-pentanoate CAS Name: 4-[4-(4-chloro-2-nitroanilino)phenoxy]-3-oxopentanoic acid methyl ester IUPAC Name: methyl 4-[4-(4-chloro-2-nitroanilino)phenoxy]-3-oxopentanoate Traditional Name: 4-[4-(4-chloro-2-nitro-anilino)phenoxy]-3-keto-valeric acid methyl ester Formula: C18H17ClN2O6 MolecularWeight: 392.79038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)CC(=O)OC)OC1=CC=C(C=C1)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)CC(=O)OC)OC1=CC=C(C=C1)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN2O6/c1-11(17(22)10-18(23)26-2)27-14-6-4-13(5-7-14)20-15-8-3-12(19)9-16(15)21(24)25/h3-9,11,20H,10H2,1-2H3