[(E)-[azanyl-(5-nitrothiophen-2-yl)methylidene]amino] 4-tert-butylbenzoate

Systemtic Name: [(E)-[azanyl-(5-nitrothiophen-2-yl)methylidene]amino] 4-tert-butylbenzoate Openeye Name: [(E)-[amino-(5-nitro-2-thienyl)methylene]amino] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [(E)-[amino-(5-nitro-2-thiophenyl)methylidene]amino] ester IUPAC Name: [(E)-[amino-(5-nitrothiophen-2-yl)methylidene]amino] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [(E)-[amino-(5-nitro-2-thienyl)methylene]amino] ester Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)ON=C(C2=CC=C(S2)[N+](=O)[O-])N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)O/N=C(\C2=CC=C(S2)[N+](=O)[O-])/N

InChI

InChI=1S/C16H17N3O4S/c1-16(2,3)11-6-4-10(5-7-11)15(20)23-18-14(17)12-8-9-13(24-12)19(21)22/h4-9H,1-3H3,(H2,17,18)