tert-butyl 2-azanyl-2-(3-azanyl-2-methyl-4H-1,4-benzoxazin-6-yl)-3-(3-nitrophenyl)propanoate

Systemtic Name: tert-butyl 2-azanyl-2-(3-azanyl-2-methyl-4H-1,4-benzoxazin-6-yl)-3-(3-nitrophenyl)propanoate Openeye Name: tert-butyl 2-amino-2-(3-amino-2-methyl-4H-1,4-benzoxazin-6-yl)-3-(3-nitrophenyl)propanoate CAS Name: 2-amino-2-(3-amino-2-methyl-4H-1,4-benzoxazin-6-yl)-3-(3-nitrophenyl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-2-(3-amino-2-methyl-4H-1,4-benzoxazin-6-yl)-3-(3-nitrophenyl)propanoate Traditional Name: 2-amino-2-(3-amino-2-methyl-4H-1,4-benzoxazin-6-yl)-3-(3-nitrophenyl)propionic acid tert-butyl ester Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C(O1)C=CC(=C2)C(CC3=CC(=CC=C3)[N+](=O)[O-])(C(=O)OC(C)(C)C)N)N

Isomeric SMILES

CC1=C(NC2=C(O1)C=CC(=C2)C(CC3=CC(=CC=C3)[N+](=O)[O-])(C(=O)OC(C)(C)C)N)N

InChI

InChI=1S/C22H26N4O5/c1-13-19(23)25-17-11-15(8-9-18(17)30-13)22(24,20(27)31-21(2,3)4)12-14-6-5-7-16(10-14)26(28)29/h5-11,25H,12,23-24H2,1-4H3