[4-[(Z)-[[(2R)-1-methoxypropan-2-yl]carbamothioylhydrazinylidene]methyl]phenyl] 3-nitrobenzoate

Systemtic Name: [4-[(Z)-[[(2R)-1-methoxypropan-2-yl]carbamothioylhydrazinylidene]methyl]phenyl] 3-nitrobenzoate Openeye Name: [4-[(Z)-[[(1R)-2-methoxy-1-methyl-ethyl]carbamothioylhydrazono]methyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(Z)-[[[[(2R)-1-methoxypropan-2-yl]amino]-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(Z)-[[(2R)-1-methoxypropan-2-yl]carbamothioylhydrazinylidene]methyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(Z)-[[(1R)-2-methoxy-1-methyl-ethyl]thiocarbamoylhydrazono]methyl]phenyl] ester Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](COC)NC(=S)N/N=C\C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O5S/c1-13(12-27-2)21-19(29)22-20-11-14-6-8-17(9-7-14)28-18(24)15-4-3-5-16(10-15)23(25)26/h3-11,13H,12H2,1-2H3,(H2,21,22,29)/b20-11-/t13-/m1/s1