ethyl 5-azanyl-1-[[(E)-2-cyano-3-ethoxy-3-oxidanylidene-1-phenylazanyl-prop-1-enyl]diazenyl]-3-phenylazanyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[[(E)-2-cyano-3-ethoxy-3-oxidanylidene-1-phenylazanyl-prop-1-enyl]diazenyl]-3-phenylazanyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-3-anilino-1-[(E)-1-anilino-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]azo-pyrazole-4-carboxylate CAS Name: 5-amino-3-anilino-1-[(E)-1-anilino-2-cyano-3-ethoxy-3-oxoprop-1-enyl]azo-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-anilino-1-[[(E)-1-anilino-2-cyano-3-ethoxy-3-oxoprop-1-enyl]diazenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-3-anilino-1-[(E)-1-anilino-2-cyano-3-ethoxy-3-keto-prop-1-enyl]azo-pyrazole-4-carboxylic acid ethyl ester Formula: C24H24N8O4 MolecularWeight: 488.49856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1NC2=CC=CC=C2)N=NC(=C(C#N)C(=O)OCC)NC3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1NC2=CC=CC=C2)N=N/C(=C(\C#N)/C(=O)OCC)/NC3=CC=CC=C3)N

InChI

InChI=1S/C24H24N8O4/c1-3-35-23(33)18(15-25)21(27-16-11-7-5-8-12-16)29-31-32-20(26)19(24(34)36-4-2)22(30-32)28-17-13-9-6-10-14-17/h5-14,27H,3-4,26H2,1-2H3,(H,28,30)/b21-18+,31-29?