ditert-butyl 2-[(7-azanyl-5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)amino]butanedioate

Systemtic Name: ditert-butyl 2-[(7-azanyl-5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)amino]butanedioate Openeye Name: ditert-butyl 2-[(7-amino-5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]butanedioate CAS Name: 2-[(7-amino-5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]butanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[(7-amino-5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]butanedioate Traditional Name: 2-[(7-amino-4-keto-5-methyl-3,1-benzoxazin-2-yl)amino]succinic acid ditert-butyl ester Formula: C21H29N3O6 MolecularWeight: 419.47146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1C(=O)OC(=N2)NC(CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)N

Isomeric SMILES

CC1=CC(=CC2=C1C(=O)OC(=N2)NC(CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)N

InChI

InChI=1S/C21H29N3O6/c1-11-8-12(22)9-13-16(11)18(27)28-19(23-13)24-14(17(26)30-21(5,6)7)10-15(25)29-20(2,3)4/h8-9,14H,10,22H2,1-7H3,(H,23,24)