3-ethanoyl-6-nitro-chromen-2-one; ethyl 4-azanylbenzoate

Systemtic Name: 3-ethanoyl-6-nitro-chromen-2-one; ethyl 4-azanylbenzoate Openeye Name: 3-acetyl-6-nitro-chromen-2-one; ethyl 4-aminobenzoate CAS Name: 3-acetyl-6-nitro-1-benzopyran-2-one; 4-aminobenzoic acid ethyl ester IUPAC Name: 3-acetyl-6-nitrochromen-2-one; ethyl 4-aminobenzoate Traditional Name: 3-acetyl-6-nitro-coumarin; 4-aminobenzoic acid ethyl ester Formula: C20H18N2O7 MolecularWeight: 398.36612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N.CC(=O)C1=CC2=C(C=CC(=C2)[N+](=O)[O-])OC1=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N.CC(=O)C1=CC2=C(C=CC(=C2)[N+](=O)[O-])OC1=O

InChI

InChI=1S/C11H7NO5.C9H11NO2/c1-6(13)9-5-7-4-8(12(15)16)2-3-10(7)17-11(9)14;1-2-12-9(11)7-3-5-8(10)6-4-7/h2-5H,1H3;3-6H,2,10H2,1H3