2-[6-nitro-4-(phenylmethyl)-2,3-dihydro-1,4-benzoxazin-2-yl]ethanoic acid

Systemtic Name: 2-[6-nitro-4-(phenylmethyl)-2,3-dihydro-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-(4-benzyl-6-nitro-2,3-dihydro-1,4-benzoxazin-2-yl)acetic acid CAS Name: 2-[6-nitro-4-(phenylmethyl)-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-(4-benzyl-6-nitro-2,3-dihydro-1,4-benzoxazin-2-yl)acetic acid Traditional Name: 2-(4-benzyl-6-nitro-2,3-dihydro-1,4-benzoxazin-2-yl)acetic acid Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(N1CC3=CC=CC=C3)C=C(C=C2)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

C1C(OC2=C(N1CC3=CC=CC=C3)C=C(C=C2)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C17H16N2O5/c20-17(21)9-14-11-18(10-12-4-2-1-3-5-12)15-8-13(19(22)23)6-7-16(15)24-14/h1-8,14H,9-11H2,(H,20,21)