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methyl 2-[3-nitro-4-(2-thiophen-2-ylethylamino)phenyl]carbonylbenzoate

methyl 2-[3-nitro-4-(2-thiophen-2-ylethylamino)phenyl]carbonylbenzoate

Systemtic Name:methyl 2-[3-nitro-4-(2-thiophen-2-ylethylamino)phenyl]carbonylbenzoate
Openeye Name:methyl 2-[3-nitro-4-[2-(2-thienyl)ethylamino]benzoyl]benzoate
CAS Name:2-[[3-nitro-4-(2-thiophen-2-ylethylamino)phenyl]-oxomethyl]benzoic acid methyl ester
IUPAC Name:methyl 2-[3-nitro-4-(2-thiophen-2-ylethylamino)benzoyl]benzoate
Traditional Name:2-[3-nitro-4-[2-(2-thienyl)ethylamino]benzoyl]benzoic acid methyl ester
Formula: C21H18N2O5S
MolecularWeight: 410.44302
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)NCCC3=CC=CS3)[N+](=O)[O-]


Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)NCCC3=CC=CS3)[N+](=O)[O-]


InChI

InChI=1S/C21H18N2O5S/c1-28-21(25)17-7-3-2-6-16(17)20(24)14-8-9-18(19(13-14)23(26)27)22-11-10-15-5-4-12-29-15/h2-9,12-13,22H,10-11H2,1H3


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