methyl 4-methyl-2-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-4-methyl-2-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiophene-3-carboxylate CAS Name: 4-methyl-2-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-4-methyl-2-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-4-methyl-2-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiophene-3-carboxylic acid methyl ester Formula: C22H18N2O6S MolecularWeight: 438.45312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)N=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)N=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)CC4=CC=CC=C4

InChI

InChI=1S/C22H18N2O6S/c1-13-19(8-14-6-4-3-5-7-14)31-21(20(13)22(25)28-2)23-11-15-9-17-18(30-12-29-17)10-16(15)24(26)27/h3-7,9-11H,8,12H2,1-2H3