[(E)-4-(tert-butylamino)-4-oxidanylidene-but-2-en-2-yl] 2-azanyl-5-chloranyl-4-nitro-benzoate

Systemtic Name: [(E)-4-(tert-butylamino)-4-oxidanylidene-but-2-en-2-yl] 2-azanyl-5-chloranyl-4-nitro-benzoate Openeye Name: [(E)-3-(tert-butylamino)-1-methyl-3-oxo-prop-1-enyl] 2-amino-5-chloro-4-nitro-benzoate CAS Name: 2-amino-5-chloro-4-nitrobenzoic acid [(E)-4-(tert-butylamino)-4-oxobut-2-en-2-yl] ester IUPAC Name: [(E)-4-(tert-butylamino)-4-oxobut-2-en-2-yl] 2-amino-5-chloro-4-nitrobenzoate Traditional Name: 2-amino-5-chloro-4-nitro-benzoic acid [(E)-3-(tert-butylamino)-3-keto-1-methyl-prop-1-enyl] ester Formula: C15H18ClN3O5 MolecularWeight: 355.77352

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC(C)(C)C)OC(=O)C1=CC(=C(C=C1N)[N+](=O)[O-])Cl

Isomeric SMILES

C/C(=C\C(=O)NC(C)(C)C)/OC(=O)C1=CC(=C(C=C1N)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H18ClN3O5/c1-8(5-13(20)18-15(2,3)4)24-14(21)9-6-10(16)12(19(22)23)7-11(9)17/h5-7H,17H2,1-4H3,(H,18,20)/b8-5+