ethyl 2-[(2-methyl-7-nitro-3-oxidanylidene-4H-1,4-benzoxazin-2-yl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[(2-methyl-7-nitro-3-oxidanylidene-4H-1,4-benzoxazin-2-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl 2-[(2-methyl-7-nitro-3-oxo-4H-1,4-benzoxazine-2-carbonyl)amino]-3-phenyl-propanoate CAS Name: 2-[[(2-methyl-7-nitro-3-oxo-4H-1,4-benzoxazin-2-yl)-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[(2-methyl-7-nitro-3-oxo-4H-1,4-benzoxazine-2-carbonyl)amino]-3-phenylpropanoate Traditional Name: 2-[(3-keto-2-methyl-7-nitro-4H-1,4-benzoxazine-2-carbonyl)amino]-3-phenyl-propionic acid ethyl ester Formula: C21H21N3O7 MolecularWeight: 427.40734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2(C(=O)NC3=C(O2)C=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2(C(=O)NC3=C(O2)C=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H21N3O7/c1-3-30-18(25)16(11-13-7-5-4-6-8-13)23-20(27)21(2)19(26)22-15-10-9-14(24(28)29)12-17(15)31-21/h4-10,12,16H,3,11H2,1-2H3,(H,22,26)(H,23,27)