[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxo-ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid [2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid [2-[[4-(dimethylamino)benzyl]amino]-2-keto-ethyl] ester Formula: C18H23N5O5 MolecularWeight: 389.40572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OCC(=O)NCC2=CC=C(C=C2)N(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OCC(=O)NCC2=CC=C(C=C2)N(C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O5/c1-12-18(23(26)27)13(2)22(20-12)10-17(25)28-11-16(24)19-9-14-5-7-15(8-6-14)21(3)4/h5-8H,9-11H2,1-4H3,(H,19,24)