ethyl 3-[(4-bromanyl-2-methyl-phenyl)amino]-2-nitro-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[(4-bromanyl-2-methyl-phenyl)amino]-2-nitro-3-oxidanylidene-propanoate Openeye Name: ethyl 3-(4-bromo-2-methyl-anilino)-2-nitro-3-oxo-propanoate CAS Name: 3-(4-bromo-2-methylanilino)-2-nitro-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-(4-bromo-2-methylanilino)-2-nitro-3-oxopropanoate Traditional Name: 3-(4-bromo-2-methyl-anilino)-3-keto-2-nitro-propionic acid ethyl ester Formula: C12H13BrN2O5 MolecularWeight: 345.14602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrN2O5/c1-3-20-12(17)10(15(18)19)11(16)14-9-5-4-8(13)6-7(9)2/h4-6,10H,3H2,1-2H3,(H,14,16)