2-(1-chloranyl-4-methyl-8-nitro-pyrrolo[2,1-c][1,4]benzoxazin-4-yl)ethanoic acid

Systemtic Name: 2-(1-chloranyl-4-methyl-8-nitro-pyrrolo[2,1-c][1,4]benzoxazin-4-yl)ethanoic acid Openeye Name: 2-(1-chloro-4-methyl-8-nitro-pyrrolo[2,1-c][1,4]benzoxazin-4-yl)acetic acid CAS Name: 2-(1-chloro-4-methyl-8-nitro-4-pyrrolo[2,1-c][1,4]benzoxazinyl)acetic acid IUPAC Name: 2-(1-chloro-4-methyl-8-nitropyrrolo[2,1-c][1,4]benzoxazin-4-yl)acetic acid Traditional Name: 2-(1-chloro-4-methyl-8-nitro-pyrrolo[2,1-c][1,4]benzoxazin-4-yl)acetic acid Formula: C14H11ClN2O5 MolecularWeight: 322.70054

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=C(N2C3=C(O1)C=CC(=C3)[N+](=O)[O-])Cl)CC(=O)O

Isomeric SMILES

CC1(C2=CC=C(N2C3=C(O1)C=CC(=C3)[N+](=O)[O-])Cl)CC(=O)O

InChI

InChI=1S/C14H11ClN2O5/c1-14(7-13(18)19)11-4-5-12(15)16(11)9-6-8(17(20)21)2-3-10(9)22-14/h2-6H,7H2,1H3,(H,18,19)