methyl 9-[(4-chloranyl-3-nitro-phenyl)amino]-9-oxidanylidene-nonanoate

Systemtic Name: methyl 9-[(4-chloranyl-3-nitro-phenyl)amino]-9-oxidanylidene-nonanoate Openeye Name: methyl 9-(4-chloro-3-nitro-anilino)-9-oxo-nonanoate CAS Name: 9-(4-chloro-3-nitroanilino)-9-oxononanoic acid methyl ester IUPAC Name: methyl 9-(4-chloro-3-nitroanilino)-9-oxononanoate Traditional Name: 9-(4-chloro-3-nitro-anilino)-9-keto-pelargonic acid methyl ester Formula: C16H21ClN2O5 MolecularWeight: 356.80134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCC(=O)NC1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCCCCCC(=O)NC1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H21ClN2O5/c1-24-16(21)8-6-4-2-3-5-7-15(20)18-12-9-10-13(17)14(11-12)19(22)23/h9-11H,2-8H2,1H3,(H,18,20)