methyl 3-[(2-tert-butyl-1,3-benzoxazol-5-yl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(2-tert-butyl-1,3-benzoxazol-5-yl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(2-tert-butyl-1,3-benzoxazol-5-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(2-tert-butyl-1,3-benzoxazol-5-yl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(2-tert-butyl-1,3-benzoxazol-5-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(2-tert-butyl-1,3-benzoxazol-5-yl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(O1)C=CC(=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)(C)C1=NC2=C(O1)C=CC(=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H19N3O6/c1-20(2,3)19-22-15-10-13(5-6-16(15)29-19)21-17(24)11-7-12(18(25)28-4)9-14(8-11)23(26)27/h5-10H,1-4H3,(H,21,24)