hexadecyl 3-[[(2-chloranyl-4,5-dicyano-phenyl)amino]carbamoylamino]-4-methanoyl-benzoate

Systemtic Name: hexadecyl 3-[[(2-chloranyl-4,5-dicyano-phenyl)amino]carbamoylamino]-4-methanoyl-benzoate Openeye Name: hexadecyl 3-[(2-chloro-4,5-dicyano-anilino)carbamoylamino]-4-formyl-benzoate CAS Name: 3-[[[(2-chloro-4,5-dicyanophenyl)hydrazo]-oxomethyl]amino]-4-formylbenzoic acid hexadecyl ester IUPAC Name: hexadecyl 3-[(2-chloro-4,5-dicyanoanilino)carbamoylamino]-4-formylbenzoate Traditional Name: 3-[(2-chloro-4,5-dicyano-anilino)carbamoylamino]-4-formyl-benzoic acid cetyl ester Formula: C33H42ClN5O4 MolecularWeight: 608.17068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)C=O)NC(=O)NNC2=C(C=C(C(=C2)C#N)C#N)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)C=O)NC(=O)NNC2=C(C=C(C(=C2)C#N)C#N)Cl

InChI

InChI=1S/C33H42ClN5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-43-32(41)25-16-17-26(24-40)30(20-25)37-33(42)39-38-31-21-28(23-36)27(22-35)19-29(31)34/h16-17,19-21,24,38H,2-15,18H2,1H3,(H2,37,39,42)