methyl 3-[(6-nitro-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]benzoate

Systemtic Name: methyl 3-[(6-nitro-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]benzoate Openeye Name: methyl 3-[(6-nitro-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]benzoate CAS Name: 3-[(6-nitro-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(6-nitro-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]benzoate Traditional Name: 3-[(6-nitro-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]benzoic acid methyl ester Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2CCOC3=C2C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2CCOC3=C2C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O5/c1-23-17(20)13-4-2-3-12(9-13)11-18-7-8-24-16-6-5-14(19(21)22)10-15(16)18/h2-6,9-10H,7-8,11H2,1H3