2-[[3-methoxycarbonyl-4-methyl-5-(phenylmethyl)thiophen-2-yl]iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[[3-methoxycarbonyl-4-methyl-5-(phenylmethyl)thiophen-2-yl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[(5-benzyl-3-methoxycarbonyl-4-methyl-2-thienyl)iminomethyl]-4-nitro-phenolate CAS Name: 2-[[3-methoxycarbonyl-4-methyl-5-(phenylmethyl)-2-thiophenyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[(5-benzyl-3-methoxycarbonyl-4-methylthiophen-2-yl)iminomethyl]-4-nitrophenolate Traditional Name: 2-[(5-benzyl-3-carbomethoxy-4-methyl-2-thienyl)iminomethyl]-4-nitro-phenolate Formula: C21H17N2O5S- MolecularWeight: 409.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)N=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)N=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])CC3=CC=CC=C3

InChI

InChI=1S/C21H18N2O5S/c1-13-18(10-14-6-4-3-5-7-14)29-20(19(13)21(25)28-2)22-12-15-11-16(23(26)27)8-9-17(15)24/h3-9,11-12,24H,10H2,1-2H3/p-1