ethyl 3-nitro-5-[(3-nitro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoate

Systemtic Name: ethyl 3-nitro-5-[(3-nitro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoate Openeye Name: ethyl 3-nitro-5-[(3-nitro-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]benzoate CAS Name: 3-nitro-5-[[(3-nitro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[(3-nitro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoate Traditional Name: 3-nitro-5-[(3-nitro-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]benzoic acid ethyl ester Formula: C18H17N3O7S MolecularWeight: 419.40848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O7S/c1-2-28-18(23)11-7-10(8-12(9-11)20(24)25)16(22)19-17-15(21(26)27)13-5-3-4-6-14(13)29-17/h7-9H,2-6H2,1H3,(H,19,22)