ethyl 3-[[(2S)-2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]carbonyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[(2S)-2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]carbonyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(2S)-2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazine-4-carbonyl]-5-nitro-benzoate CAS Name: 3-[[(2S)-2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(2S)-2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazine-4-carbonyl]-5-nitrobenzoate Traditional Name: 3-[(2S)-2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazine-4-carbonyl]-5-nitro-benzoic acid ethyl ester Formula: C20H19N3O7 MolecularWeight: 413.38076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CC(OC3=CC=CC=C32)C(=O)NC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2C[C@H](OC3=CC=CC=C32)C(=O)NC)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O7/c1-3-29-20(26)13-8-12(9-14(10-13)23(27)28)19(25)22-11-17(18(24)21-2)30-16-7-5-4-6-15(16)22/h4-10,17H,3,11H2,1-2H3,(H,21,24)/t17-/m0/s1