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

Systemtic Name: hexadecyl 3-[[(2-chloranyl-4,5-dicyano-phenyl)amino]carbamoylamino]-4-methoxy-benzoate Openeye Name: hexadecyl 3-[(2-chloro-4,5-dicyano-anilino)carbamoylamino]-4-methoxy-benzoate CAS Name: 3-[[[(2-chloro-4,5-dicyanophenyl)hydrazo]-oxomethyl]amino]-4-methoxybenzoic acid hexadecyl ester IUPAC Name: hexadecyl 3-[(2-chloro-4,5-dicyanoanilino)carbamoylamino]-4-methoxybenzoate Traditional Name: 3-[(2-chloro-4,5-dicyano-anilino)carbamoylamino]-4-methoxy-benzoic acid cetyl ester Formula: C33H44ClN5O4 MolecularWeight: 610.18656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H44ClN5O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-43-32(40)25-17-18-31(42-2)30(21-25)37-33(41)39-38-29-22-27(24-36)26(23-35)20-28(29)34/h17-18,20-22,38H,3-16,19H2,1-2H3,(H2,37,39,41)