[4-[(Z)-(butylcarbamothioylhydrazinylidene)methyl]phenyl] 3-nitrobenzoate

Systemtic Name: [4-[(Z)-(butylcarbamothioylhydrazinylidene)methyl]phenyl] 3-nitrobenzoate Openeye Name: [4-[(Z)-(butylcarbamothioylhydrazono)methyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(Z)-[[butylamino(sulfanylidene)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(Z)-(butylcarbamothioylhydrazinylidene)methyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(Z)-(butylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NN=CC1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=S)N/N=C\C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O4S/c1-2-3-11-20-19(28)22-21-13-14-7-9-17(10-8-14)27-18(24)15-5-4-6-16(12-15)23(25)26/h4-10,12-13H,2-3,11H2,1H3,(H2,20,22,28)/b21-13-