prop-2-enyl 4-[(4-chloranyl-2-nitro-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: prop-2-enyl 4-[(4-chloranyl-2-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: allyl 4-(4-chloro-2-nitro-anilino)-4-oxo-butanoate CAS Name: 4-(4-chloro-2-nitroanilino)-4-oxobutanoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-(4-chloro-2-nitroanilino)-4-oxobutanoate Traditional Name: 4-(4-chloro-2-nitro-anilino)-4-keto-butyric acid allyl ester Formula: C13H13ClN2O5 MolecularWeight: 312.70572

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)CCC(=O)NC1=C(C=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

C=CCOC(=O)CCC(=O)NC1=C(C=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H13ClN2O5/c1-2-7-21-13(18)6-5-12(17)15-10-4-3-9(14)8-11(10)16(19)20/h2-4,8H,1,5-7H2,(H,15,17)